1-(2-fluoranyl-5-nitro-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea

Systemtic Name: 1-(2-fluoranyl-5-nitro-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Openeye Name: 1-(2-fluoro-5-nitro-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea CAS Name: 1-(2-fluoro-5-nitrophenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea IUPAC Name: 1-(2-fluoro-5-nitrophenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Traditional Name: 1-(2-fluoro-5-nitro-phenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C14H18FN3O2S MolecularWeight: 311.375023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C14H18FN3O2S/c1-9-4-2-3-5-12(9)16-14(21)17-13-8-10(18(19)20)6-7-11(13)15/h6-9,12H,2-5H2,1H3,(H2,16,17,21)/t9-,12-/m0/s1